ChemSpider 2D Image | 3-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone | C28H35N7O2

3-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC28H35N7O2
  • Average mass501.623 Da
  • Monoisotopic mass501.285217 Da
  • ChemSpider ID2434065

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][4-(4-hydroxyphenyl)-1-piperazinyl]methyl]-6,8-dimethyl- [ACD/Index Name]
3-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(4-Hydroxyphényl)-1-pipérazinyl][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-6,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]
GNF-PF-3706

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ASN 04187891 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 80.61
ACD/KOC (pH 5.5): 460.17
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 533.33
ACD/KOC (pH 7.4): 3044.68
Polar Surface Area: 99 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 386.9±7.0 cm3

Click to predict properties on the Chemicalize site


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